Geometry & MOs

Info

ID:	214093
PubChem CID:	81067284
Reduced:	SO3N4C12H22 (1)
Stoich.:	AB3C4D12E22 (1)
Weight, g/mol:	288.158626
ΔH_f, kcal/mol:	-69.17
Dipole, Da:	4.35
IP(EA), eV:	-9.07(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-4-[5-(1-phenylpropyl)tetrazol-1-yl]butanoic acid

Drug info:

PubChemData

Smile

CCOCCN(C)S(=O)(=O)C1=C(C=NN1)CNC2CC2

DOS

IR

Vibrations